[(2R)-1-(cyanomethyl)-4,5-bis(oxidanylidene)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate

Systemtic Name: [(2R)-1-(cyanomethyl)-4,5-bis(oxidanylidene)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2R)-1-(cyanomethyl)-4,5-dioxo-2-(2-thienyl)pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2R)-1-(cyanomethyl)-4,5-dioxo-2-thiophen-2-yl-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2R)-1-(cyanomethyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2R)-1-(cyanomethyl)-4,5-diketo-2-(2-thienyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C17H11N2O3S- MolecularWeight: 323.34584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC#N)C3=CC=CS3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=C2[C@@H](N(C(=O)C2=O)CC#N)C3=CC=CS3)[O-]

InChI

InChI=1S/C17H12N2O3S/c18-8-9-19-14(12-7-4-10-23-12)13(16(21)17(19)22)15(20)11-5-2-1-3-6-11/h1-7,10,14,20H,9H2/p-1/t14-/m0/s1